N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine

C14H25NO — CID 144610774

IUPACN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h6,13H,2,5,7-11H2,1,3-4H3/b14-12+
InChIKeyLVQBZZVJLZPBNR-WYMLVPIESA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds5

About N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine

N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine (PubChem CID 144610774) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
PubChem CID144610774
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine
SMILESC=C/C(=C(/C)CC)N(CC)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h6,13H,2,5,7-11H2,1,3-4H3/b14-12+
InChIKeyLVQBZZVJLZPBNR-WYMLVPIESA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine?
The IUPAC name of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine (CID 144610774) is N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine.
What is the SMILES notation for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine?
The canonical SMILES for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine is C=C/C(=C(/C)CC)N(CC)C1CCOCC1.
What is the InChIKey of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine?
The InChIKey is LVQBZZVJLZPBNR-WYMLVPIESA-N. The full InChI is InChI=1S/C14H25NO/c1-5-12(4)14(6-2)15(7-3)13-8-10-16-11-9-13/h6,13H,2,5,7-11H2,1,3-4H3/b14-12+.
What are the key properties of N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine?
N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3E)-4-methylhexa-1,3-dien-3-yl]oxan-4-amine is sourced from PubChem (CID 144610774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).